2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide

C42H30F6N8O2 — CID 87835884

IUPAC2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/2C21H15F3N4O/c22-21(23,24)19-10-4-8-16(27-19)14-5-3-6-15(11-14)26-20(29)12-28-13-25-17-7-1-2-9-18(17)28;22-21(23,24)15-8-9-17(25-11-15)14-4-3-5-16(10-14)27-20(29)12-28-13-26-18-6-1-2-7-19(18)28/h1-11,13H,12H2,(H,26,29);1-11,13H,12H2,(H,27,29)
InChIKeyKXRFHPVWTVUXIV-UHFFFAOYSA-N
MW792.74 g/mol
LogP9.51
Rot. Bonds8

About 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide (PubChem CID 87835884) has the molecular formula C42H30F6N8O2 and a molecular weight of 792.74 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide
PubChem CID87835884
Molecular FormulaC42H30F6N8O2
Molecular Weight792.74 g/mol
Exact Mass792.24
IUPAC Name2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/2C21H15F3N4O/c22-21(23,24)19-10-4-8-16(27-19)14-5-3-6-15(11-14)26-20(29)12-28-13-25-17-7-1-2-9-18(17)28;22-21(23,24)15-8-9-17(25-11-15)14-4-3-5-16(10-14)27-20(29)12-28-13-26-18-6-1-2-7-19(18)28/h1-11,13H,12H2,(H,26,29);1-11,13H,12H2,(H,27,29)
InChIKeyKXRFHPVWTVUXIV-UHFFFAOYSA-N
XLogP9.51
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.74
LogP ≤ 59.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
2-(benzimidazol-1-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121090100
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 49034868
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4829933
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
(2S)-2-[[2-(benzimidazol-1-yl)acetyl]amino]-N-methylbutanediamide
CID 58709539

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide (CID 87835884) is 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide is O=C(Cn1cnc2ccccc21)Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is KXRFHPVWTVUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15F3N4O/c22-21(23,24)19-10-4-8-16(27-19)14-5-3-6-15(11-14)26-20(29)12-28-13-25-17-7-1-2-9-18(17)28;22-21(23,24)15-8-9-17(25-11-15)14-4-3-5-16(10-14)27-20(29)12-28-13-26-18-6-1-2-7-19(18)28/h1-11,13H,12H2,(H,26,29);1-11,13H,12H2,(H,27,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 792.74 g/mol, XLogP of 9.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 87835884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).